Geometry & MOs

Info

ID:	38122
PubChem CID:	8027192
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	175.085795
ΔH_f, kcal/mol:	30.73
Dipole, Da:	3.73
IP(EA), eV:	-8.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminophenyl)-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC#N

DOS

IR

Vibrations